5-bromo-2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-3-sulfonamide

C11H17BrN4O2S2 — CID 80599938

IUPAC5-bromo-2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-3-sulfonamide
SMILESNNc1ncc(Br)cc1S(=O)(=O)NCC1CCCCS1
InChIInChI=1S/C11H17BrN4O2S2/c12-8-5-10(11(16-13)14-6-8)20(17,18)15-7-9-3-1-2-4-19-9/h5-6,9,15H,1-4,7,13H2,(H,14,16)
InChIKeySVKHUTZSQOXGEW-UHFFFAOYSA-N
MW381.32 g/mol
LogP1.69
Rot. Bonds5

About 5-bromo-2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-3-sulfonamide

5-bromo-2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-3-sulfonamide (PubChem CID 80599938) has the molecular formula C11H17BrN4O2S2 and a molecular weight of 381.32 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-3-sulfonamide
PubChem CID80599938
Molecular FormulaC11H17BrN4O2S2
Molecular Weight381.32 g/mol
Exact Mass380.00
IUPAC Name5-bromo-2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-3-sulfonamide
SMILESNNc1ncc(Br)cc1S(=O)(=O)NCC1CCCCS1
InChIInChI=1S/C11H17BrN4O2S2/c12-8-5-10(11(16-13)14-6-8)20(17,18)15-7-9-3-1-2-4-19-9/h5-6,9,15H,1-4,7,13H2,(H,14,16)
InChIKeySVKHUTZSQOXGEW-UHFFFAOYSA-N
XLogP1.69
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.32
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-hydrazinylpyridine-3-sulfonamide
CID 63683555
5-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinylpyridine-3-sulfonamide
CID 62133630
5-bromo-N-cyclobutyl-2-hydrazinylpyridine-3-sulfonamide
CID 62414810
2-hydrazinyl-N-(thiolan-2-ylmethyl)pyridine-3-sulfonamide
CID 80585516
3-amino-5-bromo-2-methyl-N-(thian-2-ylmethyl)benzenesulfonamide
CID 114379946
5-bromo-N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-sulfonamide
CID 61298746
5-bromo-N-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide
CID 61299692
2-amino-N-(thian-2-ylmethyl)pyrimidine-5-sulfonamide
CID 80613102
5-bromo-2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102906621
4-bromo-N-(thian-2-ylmethyl)benzenesulfonamide
CID 80613183
2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-sulfonamide
CID 80601215
5-bromo-2-hydrazinyl-N-octylpyridine-3-sulfonamide
CID 115569034

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-3-sulfonamide (CID 80599938) is 5-bromo-2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-3-sulfonamide is NNc1ncc(Br)cc1S(=O)(=O)NCC1CCCCS1.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is SVKHUTZSQOXGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O2S2/c12-8-5-10(11(16-13)14-6-8)20(17,18)15-7-9-3-1-2-4-19-9/h5-6,9,15H,1-4,7,13H2,(H,14,16).
What are the key properties of 5-bromo-2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-3-sulfonamide?
5-bromo-2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 381.32 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 80599938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).